N-[3-(1-methylpiperazin-1-ium-1-yl)carbonylphenyl]-5-methylsulfanyl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide

Systemtic Name: N-[3-(1-methylpiperazin-1-ium-1-yl)carbonylphenyl]-5-methylsulfanyl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide Openeye Name: N-[3-(1-methylpiperazin-1-ium-1-carbonyl)phenyl]-5-methylsulfanyl-6-(trifluoromethyl)indoline-1-carboxamide CAS Name: N-[3-[(1-methyl-1-piperazin-1-iumyl)-oxomethyl]phenyl]-5-(methylthio)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide IUPAC Name: N-[3-(1-methylpiperazin-1-ium-1-carbonyl)phenyl]-5-methylsulfanyl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide Traditional Name: N-[3-(1-methylpiperazin-1-ium-1-carbonyl)phenyl]-5-(methylthio)-6-(trifluoromethyl)indoline-1-carboxamide Formula: C23H26F3N4O2S+ MolecularWeight: 479.53835

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCNCC1)C(=O)C2=CC(=CC=C2)NC(=O)N3CCC4=CC(=C(C=C43)C(F)(F)F)SC

Isomeric SMILES

C[N+]1(CCNCC1)C(=O)C2=CC(=CC=C2)NC(=O)N3CCC4=CC(=C(C=C43)C(F)(F)F)SC

InChI

InChI=1S/C23H25F3N4O2S/c1-30(10-7-27-8-11-30)21(31)16-4-3-5-17(12-16)28-22(32)29-9-6-15-13-20(33-2)18(14-19(15)29)23(24,25)26/h3-5,12-14,27H,6-11H2,1-2H3/p+1